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Ligand

NameCHEMBL3121728
Molecular formulaC27H31ClN6O3
IUPAC name8-[4-[3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propoxy]phenyl]-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight523.034
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsN/A
Inchi KeyACDUFNNGCHAONI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31ClN6O3/c1-31-25-23(26(35)32(2)27(31)36)29-24(30-25)19-8-10-21(11-9-19)37-17-5-12-33-13-15-34(16-14-33)18-20-6-3-4-7-22(20)28/h3-4,6-11H,5,12-18H2,1-2H3,(H,29,30)
PubChem CID76328910
ChEMBLCHEMBL3121728
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1448Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
1449Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
1450Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441722Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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